benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate

C19H22N2O5S — CID 110352392

IUPACbenzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
SMILESCC1COCCN1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-13-25-12-11-21(15)27(23,24)18-9-7-17(8-10-18)20-19(22)26-14-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyRGDPHOQGLHEUBQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.84
Rot. Bonds5

About benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate

benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate (PubChem CID 110352392) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
PubChem CID110352392
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namebenzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
SMILESCC1COCCN1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-13-25-12-11-21(15)27(23,24)18-9-7-17(8-10-18)20-19(22)26-14-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyRGDPHOQGLHEUBQ-UHFFFAOYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 155180653
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate (CID 110352392) is benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate is CC1COCCN1S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate?
The InChIKey is RGDPHOQGLHEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-15-13-25-12-11-21(15)27(23,24)18-9-7-17(8-10-18)20-19(22)26-14-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,20,22).
What are the key properties of benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate?
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate has a molecular weight of 390.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate is sourced from PubChem (CID 110352392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).